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Information card for entry 7105253
Preview
Coordinates | 7105253.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H53 Cl3 N3 P4 Rh |
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Calculated formula | C64 H53 Cl3 N3 P4 Rh |
SMILES | [Rh]123(Cl)[P](c4ccccc4)(c4ccccc4)n4c([P]3(c3c(c5ccccc5n3[P]1(c1ccccc1)c1ccccc1)C)c1c(c3ccccc3n1[P]2(c1ccccc1)c1ccccc1)C)c(c1ccccc41)C.C(Cl)Cl |
Title of publication | Activation of H2 by a highly distorted RhII complex with a new C3-symmetric tripodal tetraphosphine ligand |
Authors of publication | Wassenaar, Jeroen; de Bruin, Bas; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; van der Vlugt, Jarl Ivar |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 8 |
Pages of publication | 1232 |
a | 11.8086 ± 0.0005 Å |
b | 14.6492 ± 0.0004 Å |
c | 17.0348 ± 0.0005 Å |
α | 83.286 ± 0.002° |
β | 87.505 ± 0.002° |
γ | 71.163 ± 0.002° |
Cell volume | 2769.79 ± 0.16 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0781 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0672 |
Weighted residual factors for all reflections included in the refinement | 0.0767 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7105253.html
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